| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.4 | Very low | 61.5 | Low | 236 Ų | 236 | 152.8 Ų | 152.8 | 100% | 1.163 | 79% | 0.792 | S | S | * | * | 0 | 102.5 | 0 | -170.5 | 151.9 | 71.2 | 0 | 0 | 107.4 | |||||
| 2 | V | 47.4 | Very low | 62.3 | Low | 137 Ų | 137 | 150.2 Ų | 150.2 | 83% | 0.83 | 78% | 0.777 | S | S | * | * | trans | -89.5 | 108.7 | -174.7 | -168.7 | 0 | 0 | 0 | 0 | 107.8 | K4 | V2-K4 PolarHBondContact O-N 3.26Š| ||
| 3 | L | 56.3 | Low | 62.7 | Low | 126 Ų | 126 | 152.3 Ų | 152.3 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | -84.2 | 98.2 | -179 | -156.9 | 66.1 | 0 | 0 | 0 | 108.4 | F5 | L3-F5 HydrophobicContact CB-CE2 4.09Å; L3-F5 HydrophobicContact CD2-CE1 4.09Å; L3-F5 HydrophobicContact CD2-CE2 3.56Å; L3-F5 HydrophobicContact CD2-CZ 3.25Å; L3-F5 HydrophobicContact CG-CD2 4.5Å; L3-F5 HydrophobicContact CG-CE1 4.47Å; L3-F5 HydrophobicContact CG-CE2 3.85Å; L3-F5 HydrophobicContact CG-CZ 3.85Å; L3-F5 PolarHBondContact O-N 3.24Å | ||
| 4 | K | 57.7 | Low | 62.7 | Low | 188 Ų | 188 | 152.4 Ų | 152.4 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | -75.6 | 103.2 | 175.8 | -73.1 | -175 | 176.3 | -177.6 | 0 | 109 | V2 S6 | V2-K4 PolarHBondContact O-N 3.26Å; K4-S6 PolarHBondContact O-N 3.13Å | ||
| 5 | F | 64.6 | Low | 62.8 | Low | 166 Ų | 166 | 148 Ų | 148 | 73% | 0.728 | 78% | 0.778 | S | S | * | * | trans | -83.5 | 105.3 | 167.1 | -66.4 | -80.9 | 0 | 0 | 0 | 108.7 | L3 V7 | L3-F5 HydrophobicContact CB-CE2 4.09Å; L3-F5 HydrophobicContact CD2-CE1 4.09Å; L3-F5 HydrophobicContact CD2-CE2 3.56Å; L3-F5 HydrophobicContact CD2-CZ 3.25Å; L3-F5 HydrophobicContact CG-CD2 4.5Å; L3-F5 HydrophobicContact CG-CE1 4.47Å; L3-F5 HydrophobicContact CG-CE2 3.85Å; L3-F5 HydrophobicContact CG-CZ 3.85Å; L3-F5 PolarHBondContact O-N 3.24Å; F5-V7 PolarHBondContact O-N 3.42Å; F5-V7 VanDerWaalsContact O-N 3.13Å | ||
| 6 | S | 65.5 | Low | 63.2 | Low | 112 Ų | 112 | 151.5 Ų | 151.5 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -69.9 | 101.9 | 169.9 | -55.8 | 0 | 0 | 0 | 0 | 108.4 | K4 S8 | K4-S6 PolarHBondContact O-N 3.13Å; S6-S8 PolarHBondContact O-N 3.25Å | ||
| 7 | V | 69.7 | Low | 62.9 | Low | 120 Ų | 120 | 148.8 Ų | 148.8 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -80.7 | 98.5 | 175.5 | -178 | 0 | 0 | 0 | 0 | 108.3 | F5 I9 | F5-V7 PolarHBondContact O-N 3.42Å; F5-V7 VanDerWaalsContact O-N 3.13Å; V7-I9 HydrophobicContact CG1-CG1 4.04Å; V7-I9 PolarHBondContact O-N 3.22Å | ||
| 8 | S | 70.3 | Confident | 62.8 | Low | 114 Ų | 114 | 143.6 Ų | 143.6 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | -77.2 | 100.8 | 169.9 | -61.5 | 0 | 0 | 0 | 0 | 109 | S6 L10 | S6-S8 PolarHBondContact O-N 3.25Å; S8-L10 PolarHBondContact O-N 3.13Å; S8-L10 VanDerWaalsContact O-N 3.13Å | ||
| 9 | I | 68.1 | Low | 62.9 | Low | 119 Ų | 119 | 142.4 Ų | 142.4 | 61% | 0.61 | 75% | 0.748 | S | S | * | * | trans | -77.7 | 96.8 | 174.1 | -56.3 | 173.6 | 0 | 0 | 0 | 107.6 | V7 W11 | V7-I9 HydrophobicContact CG1-CG1 4.04Å; V7-I9 PolarHBondContact O-N 3.22Å; I9-W11 HydrophobicContact CG2-CD2 4.4Å; I9-W11 HydrophobicContact CG2-CG 4.43Å; I9-W11 HydrophobicContact CG2-CZ2 4.48Å; I9-W11 PolarHBondContact O-N 3.14Å; I9-W11 VanDerWaalsContact O-N 3.14Å | ||
| 10 | L | 64.8 | Low | 63.1 | Low | 149 Ų | 149 | 141.9 Ų | 141.9 | 78% | 0.78 | 74% | 0.742 | S | S | * | * | trans | -74.2 | 99.4 | 171.6 | -157.5 | 81.8 | 0 | 0 | 0 | 107.9 | S8 I12 | S8-L10 PolarHBondContact O-N 3.13Å; S8-L10 VanDerWaalsContact O-N 3.13Å; L10-I12 VanDerWaalsContact C-N 3.29Å; L10-I12 HydrophobicContact CD2-CD1 4.46Å; L10-I12 HydrophobicContact CD2-CG1 4.12Å; L10-I12 PolarHBondContact O-N 2.91Å | ||
| 11 | W | 66.5 | Low | 64.3 | Low | 214 Ų | 214 | 138.6 Ų | 138.6 | 81% | 0.811 | 73% | 0.725 | S | S | * | * | trans | -70.5 | 86.7 | 173 | -71 | 92.3 | 0 | 0 | 0 | 109.2 | I9 Q13 | I9-W11 HydrophobicContact CG2-CD2 4.4Å; I9-W11 HydrophobicContact CG2-CG 4.43Å; I9-W11 HydrophobicContact CG2-CZ2 4.48Å; I9-W11 PolarHBondContact O-N 3.14Å; I9-W11 VanDerWaalsContact O-N 3.14Å; W11-Q13 VanDerWaalsContact C-N 3.31Å; W11-Q13 PolarHBondContact O-N 2.96Å | ||
| 12 | I | 70.9 | Confident | 66.6 | Low | 121 Ų | 121 | 129.2 Ų | 129.2 | 62% | 0.621 | 68% | 0.679 | S | S | * | * | trans | -70.2 | 96.9 | 167.5 | -57.4 | 175.5 | 0 | 0 | 0 | 106 | L10 L14 | L10-I12 VanDerWaalsContact C-N 3.29Å; L10-I12 HydrophobicContact CD2-CD1 4.46Å; L10-I12 HydrophobicContact CD2-CG1 4.12Å; L10-I12 PolarHBondContact O-N 2.91Å; I12-L14 HydrophobicContact CG2-CD2 4Å; I12-L14 HydrophobicContact CG2-CG 3.93Å; I12-L14 PolarHBondContact O-N 2.86Å | ||
| 13 | Q | 67.5 | Low | 68.9 | Low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | trans | -69.4 | 91.8 | 163.5 | -63.7 | -142.5 | -24.9 | 0 | 0 | 106.8 | W11 A15 | W11-Q13 VanDerWaalsContact C-N 3.31Å; W11-Q13 PolarHBondContact O-N 2.96Å; Q13-A15 PolarHBondContact O-N 2.92Å | ||
| 14 | L | 62.6 | Low | 70.9 | Confident | 154 Ų | 154 | 124.8 Ų | 124.8 | 81% | 0.806 | 65% | 0.646 | S | S | * | * | trans | -65.4 | 90.8 | 163.5 | -70.8 | 167.3 | 0 | 0 | 0 | 105.8 | I12 W16 | I12-L14 HydrophobicContact CG2-CD2 4Å; I12-L14 HydrophobicContact CG2-CG 3.93Å; I12-L14 PolarHBondContact O-N 2.86Å; L14-W16 VanDerWaalsContact C-N 3.29Å; L14-W16 PolarHBondContact O-N 2.88Å | ||
| 15 | A | 64.2 | Low | 72.8 | Confident | 86 Ų | 86 | 118 Ų | 118 | 71% | 0.711 | 62% | 0.622 | S | S | * | * | trans | -59.4 | 100.6 | 165.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | Q13 V17 | Q13-A15 PolarHBondContact O-N 2.92Å; A15-V17 PolarHBondContact O-N 2.88Å | ||
| 16 | W | 69.6 | Low | 74.3 | Confident | 204 Ų | 204 | 112.6 Ų | 112.6 | 77% | 0.773 | 60% | 0.604 | S | S | * | * | trans | -69.3 | 90 | 173.1 | -177.8 | 172.4 | 0 | 0 | 0 | 106.8 | L14 S18 | L14-W16 VanDerWaalsContact C-N 3.29Å; L14-W16 PolarHBondContact O-N 2.88Å; W16-S18 VanDerWaalsContact C-N 3.32Å; W16-S18 VanDerWaalsContact CH2-CA 3.46Å; W16-S18 VanDerWaalsContact CZ3-N 3.33Å; W16-S18 PolarHBondContact O-N 2.99Å | ||
| 17 | V | 58.1 | Low | 75.7 | Confident | 105 Ų | 105 | 114.3 Ų | 114.3 | 64% | 0.636 | 60% | 0.599 | S | S | * | * | trans | -70.8 | 88.6 | 171.2 | 178.5 | 0 | 0 | 0 | 0 | 109 | A15 T19 | A15-V17 PolarHBondContact O-N 2.88Å; V17-T19 HydrophobicContact CG1-CG2 4.34Å; V17-T19 PolarHBondContact O-N 3.06Å | ||
| 18 | S | 61.9 | Low | 76.9 | Confident | 56 Ų | 56 | 117.2 Ų | 117.2 | 39% | 0.392 | 60% | 0.603 | S | S | . | * | trans | -58.1 | 93.1 | 171.2 | 165.6 | 0 | 0 | 0 | 0 | 111 | W16 Q20 | W16-S18 VanDerWaalsContact C-N 3.32Å; W16-S18 VanDerWaalsContact CH2-CA 3.46Å; W16-S18 VanDerWaalsContact CZ3-N 3.33Å; W16-S18 PolarHBondContact O-N 2.99Å; S18-Q20 PolarHBondContact O-N 2.73Å; S18-Q20 VanDerWaalsContact OG-CD 3.27Å; S18-Q20 WeakPolarHBondContact OG-CG 3.36Å | ||
| 19 | T | 64.2 | Low | 78.1 | Confident | 121 Ų | 121 | 116.5 Ų | 116.5 | 74% | 0.742 | 59% | 0.589 | S | S | * | * | trans | -76.7 | 59.1 | 163.1 | 60.2 | 0 | 0 | 0 | 0 | 108.6 | V17 L21 | V17-T19 HydrophobicContact CG1-CG2 4.34Å; V17-T19 PolarHBondContact O-N 3.06Å; T19-L21 PolarHBondContact O-N 3.45Å; T19-L21 VanDerWaalsContact O-N 3.15Å | ||
| 20 | Q | 65.9 | Low | 79.5 | Confident | 132 Ų | 132 | 116.3 Ų | 116.3 | 62% | 0.617 | 60% | 0.599 | S | S | * | * | trans | -68.9 | 112.9 | 172.1 | -88.1 | 172.3 | 14.2 | 0 | 0 | 107.6 | S18 L22 | S18-Q20 PolarHBondContact O-N 2.73Å; S18-Q20 VanDerWaalsContact OG-CD 3.27Å; S18-Q20 WeakPolarHBondContact OG-CG 3.36Å; Q20-L22 VanDerWaalsContact C-N 3.34Å | ||
| 21 | L | 88.3 | Confident | 80.9 | Confident | 73 Ų | 73 | 111.6 Ų | 111.6 | 38% | 0.382 | 57% | 0.574 | S | S | . | * | S | Bend | trans | -71.5 | -34.7 | -178.8 | -172.2 | 57.5 | 0 | 0 | 0 | 110.9 | T19 S43 S44 S45 F47 | T19-L21 PolarHBondContact O-N 3.45Å; T19-L21 VanDerWaalsContact O-N 3.15Å; L21-S43 CarbonylContact O-C 3.58Å; L21-S43 WeakPolarHBondContact O-CA 3.44Å; L21-S43 PolarHBondContact O-OG 3.17Å; L21-S44 WeakPolarHBondContact CD1-OG 3.41Å; L21-S44 PolarHBondContact O-N 2.83Å; L21-S45 WeakPolarHBondContact CD1-OG 3.15Å; L21-S45 WeakPolarHBondContact CD2-OG 3.34Å; L21-S45 VanDerWaalsContact CG-OG 3.32Å; L21-S45 WeakPolarHBondContact CG-OG 3.32Å; L21-F47 HydrophobicContact CD2-CE1 4.28Å; L21-F47 HydrophobicContact CD2-CE2 4Å; L21-F47 HydrophobicContact CD2-CZ 3.41Å; L21-F47 VanDerWaalsContact CD2-CZ 3.41Å; L21-F47 HydrophobicContact CG-CE2 3.94Å; L21-F47 HydrophobicContact CG-CZ 3.81Å |
| 22 | L | 94.2 | Very high | 82.4 | Confident | 39 Ų | 39 | 108 Ų | 108 | 20% | 0.204 | 57% | 0.566 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.8 | 139.6 | 172.9 | -58.9 | 80.5 | 0 | 0 | 0 | 110.9 | Q20 C41 N42 F47 L50 | Q20-L22 VanDerWaalsContact C-N 3.34Å; L22-C41 VanDerWaalsContact CD2-SG 3.56Å; L22-N42 CarbonylContact C-O 3.51Å; L22-N42 VanDerWaalsContact CA-O 3.22Å; L22-N42 WeakPolarHBondContact CA-O 3.25Å; L22-F47 HydrophobicContact CD1-CD2 4.5Å; L22-F47 HydrophobicContact CD1-CE1 4.29Å; L22-F47 HydrophobicContact CD1-CE2 3.37Å; L22-F47 HydrophobicContact CD1-CZ 3.25Å; L22-F47 HydrophobicContact CD2-CE2 4.22Å; L22-F47 HydrophobicContact CG-CE2 3.72Å; L22-F47 HydrophobicContact CG-CZ 4.12Å; L22-L50 HydrophobicContact CD2-CD2 3.58Å |
| 23 | E | 96.2 | Very high | 83.7 | Confident | 123 Ų | 123 | 109 Ų | 109 | 58% | 0.575 | 57% | 0.568 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.1 | 130.9 | 176.4 | -173.6 | -175.8 | 155.1 | 0 | 0 | 109.6 | C41 N42 | E23-C41 CarbonylContact O-C 3.56Å; E23-C41 WeakPolarHBondContact O-CA 3.49Å; E23-N42 PolarHBondContact N-O 2.72Å; E23-N42 PolarHBondContact O-N 3.45Å |
| 24 | Q | 97.4 | Very high | 85.1 | Confident | 46 Ų | 46 | 102.7 Ų | 102.7 | 22% | 0.215 | 55% | 0.551 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.5 | 135.9 | 176.8 | -77.9 | -177.7 | -131.4 | 0 | 0 | 112.3 | Y40 C41 Y105 C107 | Q24-Y40 CarbonylContact C-O 3.59Å; Q24-Y40 WeakPolarHBondContact CA-O 3.42Å; Q24-C41 HydrophobicContact CG-CB 4.26Å; Q24-Y105 PolarHBondContact NE2-O 3.26Å; Q24-C107 HydrophobicContact CG-CB 4.21Å |
| 25 | S | 97.6 | Very high | 86.8 | Confident | 46 Ų | 46 | 100 Ų | 100 | 32% | 0.322 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 142.4 | 174.7 | 78.8 | 0 | 0 | 0 | 0 | 112.8 | Y40 | S25-Y40 PolarHBondContact N-O 2.82Å; S25-Y40 PolarHBondContact O-N 3.14Å |
| 26 | P | 97.5 | Very high | 88.5 | Confident | 53 Ų | 53 | 100.6 Ų | 100.6 | 34% | 0.344 | 53% | 0.525 | S | S | . | . | S | Bend | cis | -65.8 | 153.6 | -14.9 | 32.1 | -35.9 | 0 | 0 | 0 | 111.1 | F28 L29 | P26-F28 VanDerWaalsContact C-N 3.35Å; P26-L29 HydrophobicContact CG-CB 4.01Å; P26-L29 HydrophobicContact CG-CD1 4.33Å; P26-L29 HydrophobicContact CG-CD2 4.45Å; P26-L29 HydrophobicContact CG-CG 4.48Å |
| 27 | Q | 94.9 | Very high | 89.8 | Confident | 147 Ų | 147 | 92.1 Ų | 92.1 | 69% | 0.687 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -72.2 | -32.4 | 176.7 | -67.6 | -178.8 | -2.5 | 0 | 0 | 112.2 | ||
| 28 | F | 95.2 | Very high | 91.7 | Very high | 182 Ų | 182 | 88.8 Ų | 88.8 | 80% | 0.798 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -139.2 | 139.7 | 177.5 | -58.9 | -83.2 | 0 | 0 | 0 | 108.6 | P26 | P26-F28 VanDerWaalsContact C-N 3.35Š|
| 29 | L | 95 | Very high | 93.5 | Very high | 99 Ų | 99 | 86.9 Ų | 86.9 | 52% | 0.518 | 46% | 0.461 | S | S | . | . | trans | -143.6 | 139.4 | 178.6 | -174.8 | 68.5 | 0 | 0 | 0 | 109.3 | P26 I31 L37 | P26-L29 HydrophobicContact CG-CB 4.01Å; P26-L29 HydrophobicContact CG-CD1 4.33Å; P26-L29 HydrophobicContact CG-CD2 4.45Å; P26-L29 HydrophobicContact CG-CG 4.48Å; L29-I31 HydrophobicContact CD1-CG2 4.21Å; L29-I31 HydrophobicContact CD2-CG2 3.82Å; L29-I31 HydrophobicContact CG-CG2 3.85Å; L29-L37 HydrophobicContact CD2-CB 3.58Å; L29-L37 HydrophobicContact CD2-CD1 4.13Å; L29-L37 HydrophobicContact CD2-CD2 4.17Å; L29-L37 HydrophobicContact CD2-CG 4.16Å | ||
| 30 | S | 96.3 | Very high | 95.1 | Very high | 115 Ų | 115 | 86.4 Ų | 86.4 | 80% | 0.804 | 45% | 0.446 | S | S | * | . | trans | -125.5 | 124.2 | 170 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 31 | I | 95.4 | Very high | 96.6 | Very high | 50 Ų | 50 | 80.1 Ų | 80.1 | 26% | 0.256 | 42% | 0.417 | S | S | . | . | trans | -133.3 | 163.7 | -179.2 | 56.7 | 158.8 | 0 | 0 | 0 | 109.8 | L29 E35 L37 A97 | L29-I31 HydrophobicContact CD1-CG2 4.21Å; L29-I31 HydrophobicContact CD2-CG2 3.82Å; L29-I31 HydrophobicContact CG-CG2 3.85Å; I31-E35 HydrophobicContact CB-CB 4.31Å; I31-E35 WeakPolarHBondContact CB-OE2 3.21Å; I31-E35 HydrophobicContact CD1-CB 4.24Å; I31-L37 HydrophobicContact CD1-CB 4.28Å; I31-L37 HydrophobicContact CD1-CD2 3.34Å; I31-L37 HydrophobicContact CD1-CG 4.36Å; I31-L37 HydrophobicContact CG1-CD2 4.16Å; I31-A97 HydrophobicContact CD1-CB 3.29Å; I31-A97 HydrophobicContact CG1-CB 4.43Å | ||
| 32 | Q | 97.5 | Very high | 97 | Very high | 139 Ų | 139 | 80.2 Ų | 80.2 | 65% | 0.65 | 42% | 0.418 | S | S | * | . | trans | -82 | 155.2 | 170.7 | -57.7 | -58 | -52.7 | 0 | 0 | 111.4 | E35 | Q32-E35 HydrophobicContact CB-CG 4.12Å; Q32-E35 WeakPolarHBondContact CB-OE2 3.44Å; Q32-E35 PolarHBondContact N-OE2 3.22Å; Q32-E35 WeakPolarHBondContact O-CB 3.22Å; Q32-E35 PolarHBondContact O-N 2.83Å | ||
| 33 | E | 97.6 | Very high | 97.1 | Very high | 140 Ų | 140 | 79 Ų | 79 | 65% | 0.654 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | 138.9 | 171.2 | -166.5 | 175.9 | -179.1 | 0 | 0 | 110.6 | E35 A97 | E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 3.06Å; E33-A97 CarbonylContact C-O 3.53Å; E33-A97 WeakPolarHBondContact CA-O 3.3Å; E33-A97 WeakPolarHBondContact CG-O 3.43Å |
| 34 | G | 98.2 | Very high | 97 | Very high | 47 Ų | 47 | 77.2 Ų | 77.2 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | -11.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | A97 | G34-A97 PolarHBondContact N-O 3.09Š|
| 35 | E | 98.3 | Very high | 96.7 | Very high | 97 Ų | 97 | 76.8 Ų | 76.8 | 45% | 0.453 | 42% | 0.416 | S | S | . | . | trans | -73.1 | 160.4 | 172.9 | -64.5 | -168.5 | 106.8 | 0 | 0 | 111.9 | I31 Q32 E33 A97 | I31-E35 HydrophobicContact CB-CB 4.31Å; I31-E35 WeakPolarHBondContact CB-OE2 3.21Å; I31-E35 HydrophobicContact CD1-CB 4.24Å; Q32-E35 HydrophobicContact CB-CG 4.12Å; Q32-E35 WeakPolarHBondContact CB-OE2 3.44Å; Q32-E35 PolarHBondContact N-OE2 3.22Å; Q32-E35 WeakPolarHBondContact O-CB 3.22Å; Q32-E35 PolarHBondContact O-N 2.83Å; E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 3.06Å; E35-A97 VanDerWaalsContact O-CB 3.3Å; E35-A97 WeakPolarHBondContact O-CB 3.46Å; E35-A97 PolarHBondContact O-N 2.8Å | ||
| 36 | N | 98.4 | Very high | 96.7 | Very high | 98 Ų | 98 | 79.2 Ų | 79.2 | 52% | 0.524 | 43% | 0.429 | S | S | . | . | trans | -104.3 | 144.5 | 173.5 | -60.1 | -23.8 | 0 | 0 | 0 | 109.3 | I94 T95 A96 | N36-I94 VanDerWaalsContact CA-O 3.32Å; N36-I94 WeakPolarHBondContact CA-O 3.38Å; N36-T95 VanDerWaalsContact OD1-CA 3.25Å; N36-T95 WeakPolarHBondContact OD1-CA 3.35Å; N36-A96 PolarHBondContact OD1-N 3.3Å | ||
| 37 | L | 97.7 | Very high | 96.6 | Very high | 27 Ų | 27 | 77.9 Ų | 77.9 | 14% | 0.141 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 155.9 | 175.2 | 74.9 | 96.5 | 0 | 0 | 0 | 111.6 | L29 I31 V39 H93 I94 | L29-L37 HydrophobicContact CD2-CB 3.58Å; L29-L37 HydrophobicContact CD2-CD1 4.13Å; L29-L37 HydrophobicContact CD2-CD2 4.17Å; L29-L37 HydrophobicContact CD2-CG 4.16Å; I31-L37 HydrophobicContact CD1-CB 4.28Å; I31-L37 HydrophobicContact CD1-CD2 3.34Å; I31-L37 HydrophobicContact CD1-CG 4.36Å; I31-L37 HydrophobicContact CG1-CD2 4.16Å; L37-V39 HydrophobicContact CD1-CG2 3.66Å; L37-H93 CarbonylContact O-C 3.45Å; L37-H93 WeakPolarHBondContact O-CA 3.39Å; L37-H93 PolarHBondContact O-ND1 2.65Å; L37-I94 HydrophobicContact CD1-CD1 4.19Å; L37-I94 HydrophobicContact CD1-CG1 4.19Å; L37-I94 HydrophobicContact CD2-CB 4.34Å; L37-I94 HydrophobicContact CD2-CD1 4.24Å; L37-I94 HydrophobicContact CG-CB 4.06Å; L37-I94 HydrophobicContact CG-CD1 4.38Å; L37-I94 HydrophobicContact CG-CG1 4.24Å; L37-I94 PolarHBondContact N-O 2.93Å; L37-I94 PolarHBondContact O-N 2.68Å |
| 38 | T | 98.5 | Very high | 96.6 | Very high | 35 Ų | 35 | 74.9 Ų | 74.9 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 129.1 | 170.6 | -52.1 | 0 | 0 | 0 | 0 | 109.6 | Y40 L92 H93 | T38-Y40 HydrophobicContact CG2-CD1 4.26Å; T38-Y40 HydrophobicContact CG2-CD2 4.33Å; T38-Y40 HydrophobicContact CG2-CE1 3.71Å; T38-Y40 HydrophobicContact CG2-CE2 3.78Å; T38-Y40 VanDerWaalsContact CG2-CZ 3.45Å; T38-L92 CarbonylContact C-O 3.57Å; T38-L92 VanDerWaalsContact CA-O 3.31Å; T38-L92 WeakPolarHBondContact CA-O 3.35Å; T38-H93 PolarHBondContact OG1-ND1 2.69Å |
| 39 | V | 98.4 | Very high | 96.7 | Very high | 16 Ų | 16 | 67.4 Ų | 67.4 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 130.4 | 168.4 | -175.1 | 0 | 0 | 0 | 0 | 107.8 | L37 W52 S91 L92 | L37-V39 HydrophobicContact CD1-CG2 3.66Å; V39-W52 HydrophobicContact CB-CH2 4.41Å; V39-W52 HydrophobicContact CG1-CH2 4.18Å; V39-W52 HydrophobicContact CG1-CZ3 4.26Å; V39-S91 CarbonylContact O-C 3.54Å; V39-S91 VanDerWaalsContact O-CA 3.24Å; V39-S91 WeakPolarHBondContact O-CA 3.19Å; V39-L92 HydrophobicContact CB-CB 4.5Å; V39-L92 PolarHBondContact N-O 2.84Å; V39-L92 PolarHBondContact O-N 2.8Å |
| 40 | Y | 98.5 | Very high | 96.8 | Very high | 110 Ų | 110 | 62.7 Ų | 62.7 | 43% | 0.431 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 146.2 | 177.7 | -59.3 | -84.4 | 0 | 0 | 0 | 110 | Q24 S25 T38 | Q24-Y40 CarbonylContact C-O 3.59Å; Q24-Y40 WeakPolarHBondContact CA-O 3.42Å; S25-Y40 PolarHBondContact N-O 2.82Å; S25-Y40 PolarHBondContact O-N 3.14Å; T38-Y40 HydrophobicContact CG2-CD1 4.26Å; T38-Y40 HydrophobicContact CG2-CD2 4.33Å; T38-Y40 HydrophobicContact CG2-CE1 3.71Å; T38-Y40 HydrophobicContact CG2-CE2 3.78Å; T38-Y40 VanDerWaalsContact CG2-CZ 3.45Å |
| 41 | C | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 104.2 | 174.8 | 175.4 | 0 | 0 | 0 | 0 | 107 | L22 E23 Q24 W52 D89 S90 C107 | L22-C41 VanDerWaalsContact CD2-SG 3.56Å; E23-C41 CarbonylContact O-C 3.56Å; E23-C41 WeakPolarHBondContact O-CA 3.49Å; Q24-C41 HydrophobicContact CG-CB 4.26Å; C41-W52 HydrophobicContact CB-CH2 3.81Å; C41-W52 HydrophobicContact CB-CZ2 3.71Å; C41-D89 CarbonylContact O-C 3.54Å; C41-D89 WeakPolarHBondContact O-CA 3.32Å; C41-S90 PolarHBondContact N-O 3.43Å; C41-S90 PolarHBondContact O-N 3.24Å; C41-C107 HydrophobicContact CB-CB 3.46Å; C41-C107 VanDerWaalsContact CB-CB 3.46Å; C41-C107 WeakPolarHBondContact CB-SG 3.33Å; C41-C107 WeakPolarHBondContact SG-CB 3.4Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.39Å |
| 42 | N | 97.2 | Very high | 97.1 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 141.9 | -176.1 | -65.6 | -79.6 | 0 | 0 | 0 | 109.8 | L22 E23 | L22-N42 CarbonylContact C-O 3.51Å; L22-N42 VanDerWaalsContact CA-O 3.22Å; L22-N42 WeakPolarHBondContact CA-O 3.25Å; E23-N42 PolarHBondContact N-O 2.72Å; E23-N42 PolarHBondContact O-N 3.45Å |
| 43 | S | 95.2 | Very high | 97.1 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 9% | 0.091 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 140.6 | -179.8 | 172 | 0 | 0 | 0 | 0 | 111.7 | L21 S45 F47 K88 | L21-S43 CarbonylContact O-C 3.58Å; L21-S43 WeakPolarHBondContact O-CA 3.44Å; L21-S43 PolarHBondContact O-OG 3.17Å; S43-S45 VanDerWaalsContact C-N 3.26Å; S43-S45 VanDerWaalsContact CB-O 3.29Å; S43-S45 WeakPolarHBondContact CB-O 3.45Å; S43-S45 PolarHBondContact O-N 3.38Å; S43-S45 PolarHBondContact OG-N 2.85Å; S43-S45 PolarHBondContact OG-O 2.94Å; S43-S45 PolarHBondContact OG-OG 2.78Å; S43-F47 WeakPolarHBondContact OG-CD2 3.39Å; S43-F47 WeakPolarHBondContact OG-CE2 3.44Å; S43-K88 WeakPolarHBondContact CA-O 3.31Å; S43-K88 WeakPolarHBondContact CB-O 3.29Å; S43-K88 PolarHBondContact N-O 2.83Å; S43-K88 VanDerWaalsContact O-CE 3.3Å; S43-K88 WeakPolarHBondContact O-CE 3.32Å |
| 44 | S | 93.6 | Very high | 97.1 | Very high | 85 Ų | 85 | 49.3 Ų | 49.3 | 59% | 0.594 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -72.6 | -20.4 | 169.9 | 57.5 | 0 | 0 | 0 | 0 | 112.7 | L21 K88 | L21-S44 WeakPolarHBondContact CD1-OG 3.41Å; L21-S44 PolarHBondContact O-N 2.83Å; S44-K88 WeakPolarHBondContact O-CE 3.41Å; S44-K88 PolarHBondContact O-NZ 2.79Å |
| 45 | S | 92.8 | Very high | 97.1 | Very high | 38 Ų | 38 | 49.5 Ų | 49.5 | 27% | 0.266 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -114.6 | 167.6 | 175.7 | 67.9 | 0 | 0 | 0 | 0 | 113.8 | L21 S43 | L21-S45 WeakPolarHBondContact CD1-OG 3.15Å; L21-S45 WeakPolarHBondContact CD2-OG 3.34Å; L21-S45 VanDerWaalsContact CG-OG 3.32Å; L21-S45 WeakPolarHBondContact CG-OG 3.32Å; S43-S45 VanDerWaalsContact C-N 3.26Å; S43-S45 VanDerWaalsContact CB-O 3.29Å; S43-S45 WeakPolarHBondContact CB-O 3.45Å; S43-S45 PolarHBondContact O-N 3.38Å; S43-S45 PolarHBondContact OG-N 2.85Å; S43-S45 PolarHBondContact OG-O 2.94Å; S43-S45 PolarHBondContact OG-OG 2.78Å |
| 46 | V | 95.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 47.9 Ų | 47.9 | 59% | 0.588 | 26% | 0.258 | S | S | * | . | trans | -80.8 | 133.8 | 170.4 | 178.5 | 0 | 0 | 0 | 0 | 109.2 | R87 K88 | V46-R87 WeakPolarHBondContact CA-O 3.3Å; V46-R87 HydrophobicContact CG1-CB 3.97Å; V46-K88 HydrophobicContact CG2-CD 4.23Å; V46-K88 HydrophobicContact CG2-CG 3.86Å | ||
| 47 | F | 95.5 | Very high | 96.5 | Very high | 24 Ų | 24 | 48.6 Ų | 48.6 | 11% | 0.105 | 27% | 0.268 | C | S | . | . | trans | -107.3 | 146 | 173.6 | -82.4 | -81.3 | 0 | 0 | 0 | 111.8 | L21 L22 S43 S49 L50 F83 R87 G109 | L21-F47 HydrophobicContact CD2-CE1 4.28Å; L21-F47 HydrophobicContact CD2-CE2 4Å; L21-F47 HydrophobicContact CD2-CZ 3.41Å; L21-F47 VanDerWaalsContact CD2-CZ 3.41Å; L21-F47 HydrophobicContact CG-CE2 3.94Å; L21-F47 HydrophobicContact CG-CZ 3.81Å; L22-F47 HydrophobicContact CD1-CD2 4.5Å; L22-F47 HydrophobicContact CD1-CE1 4.29Å; L22-F47 HydrophobicContact CD1-CE2 3.37Å; L22-F47 HydrophobicContact CD1-CZ 3.25Å; L22-F47 HydrophobicContact CD2-CE2 4.22Å; L22-F47 HydrophobicContact CG-CE2 3.72Å; L22-F47 HydrophobicContact CG-CZ 4.12Å; S43-F47 WeakPolarHBondContact OG-CD2 3.39Å; S43-F47 WeakPolarHBondContact OG-CE2 3.44Å; F47-S49 VanDerWaalsContact C-N 3.32Å; F47-L50 HydrophobicContact CB-CD2 3.93Å; F47-L50 HydrophobicContact CB-CG 4.16Å; F47-L50 HydrophobicContact CD1-CD2 4.34Å; F47-L50 HydrophobicContact CD2-CD2 3.88Å; F47-L50 HydrophobicContact CE2-CD2 4.48Å; F47-L50 HydrophobicContact CG-CD2 3.79Å; F47-F83 HydrophobicContact CB-CZ 4.37Å; F47-R87 PolarHBondContact N-O 2.92Å; F47-R87 WeakPolarHBondContact O-CB 3.21Å; F47-G109 VanDerWaalsContact CD1-C 3.49Å; F47-G109 VanDerWaalsContact CD1-CA 3.49Å; F47-G109 VanDerWaalsContact CD1-OXT 3.28Å; F47-G109 WeakPolarHBondContact CD1-OXT 3.48Å; F47-G109 WeakPolarHBondContact CE1-OXT 3.24Å | ||
| 48 | S | 96.1 | Very high | 96.3 | Very high | 84 Ų | 84 | 51.6 Ų | 51.6 | 59% | 0.587 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -72.3 | -31.7 | 172.6 | 52.6 | 0 | 0 | 0 | 0 | 111.6 | V68 | S48-V68 VanDerWaalsContact O-O 3.05Š|
| 49 | S | 96.9 | Very high | 96.1 | Very high | 25 Ų | 25 | 55.7 Ų | 55.7 | 18% | 0.175 | 32% | 0.323 | C | S | . | . | trans | -154 | 154.1 | 172.9 | 57.9 | 0 | 0 | 0 | 0 | 110.4 | F47 V67 | F47-S49 VanDerWaalsContact C-N 3.32Å; S49-V67 CarbonylContact C-O 3.53Å; S49-V67 WeakPolarHBondContact CA-O 3.33Å; S49-V67 WeakPolarHBondContact CB-O 3.19Å | ||
| 50 | L | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 145.7 | 165.9 | -70.5 | 177.7 | 0 | 0 | 0 | 110.1 | L22 F47 T66 V67 F83 A108 | L22-L50 HydrophobicContact CD2-CD2 3.58Å; F47-L50 HydrophobicContact CB-CD2 3.93Å; F47-L50 HydrophobicContact CB-CG 4.16Å; F47-L50 HydrophobicContact CD1-CD2 4.34Å; F47-L50 HydrophobicContact CD2-CD2 3.88Å; F47-L50 HydrophobicContact CE2-CD2 4.48Å; F47-L50 HydrophobicContact CG-CD2 3.79Å; L50-T66 CarbonylContact O-C 3.59Å; L50-T66 WeakPolarHBondContact O-CA 3.22Å; L50-V67 HydrophobicContact CB-CG2 4Å; L50-V67 PolarHBondContact N-O 3.02Å; L50-V67 WeakPolarHBondContact O-CG2 3.35Å; L50-V67 PolarHBondContact O-N 2.86Å; L50-F83 HydrophobicContact CB-CE2 4.32Å; L50-F83 HydrophobicContact CD1-CD2 3.95Å; L50-F83 HydrophobicContact CD1-CE2 3.51Å; L50-F83 HydrophobicContact CD1-CZ 4.4Å; L50-F83 HydrophobicContact CG-CD2 4.37Å; L50-F83 HydrophobicContact CG-CE2 3.71Å; L50-F83 HydrophobicContact CG-CZ 4.13Å; L50-A108 CarbonylContact C-O 3.6Å; L50-A108 WeakPolarHBondContact CA-O 2.76Å; L50-A108 WeakPolarHBondContact CD2-O 3.29Å |
| 51 | Q | 98.3 | Very high | 95.9 | Very high | 57 Ų | 57 | 55.2 Ų | 55.2 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 135 | -178 | -67.9 | 175.1 | -42.8 | 0 | 0 | 109.4 | Y53 L63 V65 T66 C107 A108 | Q51-Y53 HydrophobicContact CB-CD2 4.3Å; Q51-Y53 HydrophobicContact CB-CE2 3.48Å; Q51-Y53 VanDerWaalsContact CB-CE2 3.48Å; Q51-Y53 PolarHBondContact OE1-OH 2.7Å; Q51-L63 HydrophobicContact CB-CD1 3.86Å; Q51-L63 HydrophobicContact CG-CD1 4.18Å; Q51-V65 WeakPolarHBondContact CA-O 3.37Å; Q51-T66 HydrophobicContact CG-CG2 3.9Å; Q51-C107 CarbonylContact O-C 3.44Å; Q51-C107 WeakPolarHBondContact O-CA 3.01Å; Q51-A108 PolarHBondContact N-O 3.47Å; Q51-A108 PolarHBondContact O-N 3.48Å |
| 52 | W | 98.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 132.2 | 173.8 | -75.5 | 91.1 | 0 | 0 | 0 | 110.2 | V39 C41 L64 V65 F81 S90 L92 L106 C107 | V39-W52 HydrophobicContact CB-CH2 4.41Å; V39-W52 HydrophobicContact CG1-CH2 4.18Å; V39-W52 HydrophobicContact CG1-CZ3 4.26Å; C41-W52 HydrophobicContact CB-CH2 3.81Å; C41-W52 HydrophobicContact CB-CZ2 3.71Å; W52-L64 WeakPolarHBondContact O-CB 3.38Å; W52-L64 PolarHBondContact O-N 3.39Å; W52-V65 HydrophobicContact CB-CG2 4.1Å; W52-V65 PolarHBondContact N-O 2.83Å; W52-V65 PolarHBondContact O-N 2.81Å; W52-F81 HydrophobicContact CB-CD1 3.68Å; W52-F81 HydrophobicContact CB-CE1 3.5Å; W52-F81 AromaticContact CD1-CD1 3.52Å; W52-F81 HydrophobicContact CD2-CD1 4.01Å; W52-F81 HydrophobicContact CD2-CE1 4.26Å; W52-F81 AromaticContact CG-CD1 3.43Å; W52-F81 HydrophobicContact CG-CD1 3.43Å; W52-F81 VanDerWaalsContact CG-CD1 3.43Å; W52-F81 AromaticContact CG-CE1 3.72Å; W52-F81 HydrophobicContact CG-CE1 3.72Å; W52-S90 PolarHBondContact NE1-OG 2.9Å; W52-L92 HydrophobicContact CD2-CB 4.22Å; W52-L92 HydrophobicContact CE3-CB 4.03Å; W52-L92 HydrophobicContact CE3-CD2 4.31Å; W52-L92 HydrophobicContact CH2-CB 3.89Å; W52-L92 HydrophobicContact CZ2-CB 4.1Å; W52-L92 HydrophobicContact CZ3-CB 3.86Å; W52-L92 HydrophobicContact CZ3-CD2 4.4Å; W52-L106 CarbonylContact C-O 3.6Å; W52-L106 WeakPolarHBondContact CA-O 3.32Å; W52-C107 HydrophobicContact CD2-CB 4.23Å; W52-C107 HydrophobicContact CE3-CB 4.07Å; W52-C107 HydrophobicContact CH2-CB 4Å; W52-C107 HydrophobicContact CZ2-CB 4.13Å; W52-C107 HydrophobicContact CZ3-CB 3.95Å |
| 53 | Y | 98.4 | Very high | 96 | Very high | 53 Ų | 53 | 59.4 Ų | 59.4 | 21% | 0.208 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 153.9 | 178.5 | -60.7 | -101.1 | 0 | 0 | 0 | 110.1 | Q51 P61 V62 L63 Y105 L106 A108 | Q51-Y53 HydrophobicContact CB-CD2 4.3Å; Q51-Y53 HydrophobicContact CB-CE2 3.48Å; Q51-Y53 VanDerWaalsContact CB-CE2 3.48Å; Q51-Y53 PolarHBondContact OE1-OH 2.7Å; Y53-P61 HydrophobicContact CD1-CB 4.07Å; Y53-P61 HydrophobicContact CG-CB 4.35Å; Y53-V62 CarbonylContact C-O 3.56Å; Y53-V62 WeakPolarHBondContact CA-O 3.18Å; Y53-L63 HydrophobicContact CD1-CB 4.01Å; Y53-L63 HydrophobicContact CD1-CD1 4.27Å; Y53-L63 HydrophobicContact CD2-CD1 4.5Å; Y53-L63 HydrophobicContact CE1-CB 3.76Å; Y53-L63 HydrophobicContact CE1-CD1 3.82Å; Y53-L63 HydrophobicContact CE1-CG 4.39Å; Y53-L63 HydrophobicContact CE2-CD1 4.07Å; Y53-Y105 WeakPolarHBondContact O-CA 3.47Å; Y53-L106 PolarHBondContact N-O 2.71Å; Y53-L106 PolarHBondContact O-N 2.94Å; Y53-A108 HydrophobicContact CE2-CB 4.18Å |
| 54 | R | 97.8 | Very high | 96.1 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 20% | 0.2 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 141.5 | 165.6 | 175.9 | 179.4 | 172.8 | 174.2 | 2.8 | 109.3 | E56 V62 L64 G100 T102 L104 Y105 | R54-E56 IonicContact CZ-OE1 3.01Å; R54-E56 IonicContact NE-OE1 2.68Å; R54-E56 PolarHBondContact NE-OE1 2.89Å; R54-E56 IonicContact NH2-OE1 2.65Å; R54-E56 PolarHBondContact NH2-OE1 2.94Å; R54-E56 IonicContact NH2-OE2 3.66Å; R54-V62 PolarHBondContact N-O 2.86Å; R54-V62 PolarHBondContact O-N 2.96Å; R54-L64 HydrophobicContact CB-CD1 3.91Å; R54-L64 HydrophobicContact CB-CD2 4Å; R54-L64 HydrophobicContact CB-CG 4.05Å; R54-G100 PolarHBondContact NH1-O 2.69Å; R54-G100 PolarHBondContact NH2-O 3.34Å; R54-T102 PolarHBondContact NH2-O 3.38Å; R54-L104 CarbonylContact C-O 3.53Å; R54-L104 WeakPolarHBondContact CA-O 3.41Å; R54-Y105 HydrophobicContact CB-CD1 4.22Å; R54-Y105 HydrophobicContact CB-CE1 4.09Å; R54-Y105 HydrophobicContact CG-CE1 4.18Å |
| 55 | Q | 97.4 | Very high | 96.4 | Very high | 51 Ų | 51 | 57.8 Ų | 57.8 | 24% | 0.238 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 121.8 | 176.5 | -177.3 | 176.5 | 6.6 | 0 | 0 | 109.6 | E59 L104 | Q55-E59 WeakPolarHBondContact CG-O 3.15Å; Q55-E59 PolarHBondContact NE2-O 2.83Å; Q55-L104 HydrophobicContact CB-CB 4.29Å; Q55-L104 PolarHBondContact N-O 3.48Å; Q55-L104 PolarHBondContact O-N 2.83Å |
| 56 | E | 94 | Very high | 96.6 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 29% | 0.294 | 35% | 0.349 | S | S | . | . | trans | -75.6 | 153.4 | 168.7 | -66.8 | -53.6 | 112.8 | 0 | 0 | 110.8 | R54 G58 E59 | R54-E56 IonicContact CZ-OE1 3.01Å; R54-E56 IonicContact NE-OE1 2.68Å; R54-E56 PolarHBondContact NE-OE1 2.89Å; R54-E56 IonicContact NH2-OE1 2.65Å; R54-E56 PolarHBondContact NH2-OE1 2.94Å; R54-E56 IonicContact NH2-OE2 3.66Å; E56-G58 PolarHBondContact O-N 3.15Å; E56-G58 VanDerWaalsContact O-N 3.17Å; E56-E59 HydrophobicContact CB-CB 4.18Å; E56-E59 HydrophobicContact CB-CG 4.1Å; E56-E59 PolarHBondContact O-N 2.75Å | ||
| 57 | P | 90.8 | Very high | 96.8 | Very high | 113 Ų | 113 | 53.1 Ų | 53.1 | 73% | 0.734 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 122.3 | 174.9 | -24.9 | 34.6 | 0 | 0 | 0 | 112.1 | E59 | P57-E59 VanDerWaalsContact C-N 3.29Å; P57-E59 PolarHBondContact O-N 2.89Å |
| 58 | G | 92.9 | Very high | 96.9 | Very high | 91 Ų | 91 | 55.4 Ų | 55.4 | 94% | 0.938 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.1 | -4.4 | 179 | 0 | 0 | 0 | 0 | 0 | 115.3 | E56 | E56-G58 PolarHBondContact O-N 3.15Å; E56-G58 VanDerWaalsContact O-N 3.17Å |
| 59 | E | 94.3 | Very high | 97 | Very high | 120 Ų | 120 | 55.1 Ų | 55.1 | 56% | 0.561 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -100.7 | 175.3 | 174.5 | -61 | -166.5 | 175.2 | 0 | 0 | 111.9 | Q55 E56 P57 | Q55-E59 WeakPolarHBondContact CG-O 3.15Å; Q55-E59 PolarHBondContact NE2-O 2.83Å; E56-E59 HydrophobicContact CB-CB 4.18Å; E56-E59 HydrophobicContact CB-CG 4.1Å; E56-E59 PolarHBondContact O-N 2.75Å; P57-E59 VanDerWaalsContact C-N 3.29Å; P57-E59 PolarHBondContact O-N 2.89Å |
| 60 | G | 95.6 | Very high | 97 | Very high | 44 Ų | 44 | 54.9 Ų | 54.9 | 45% | 0.454 | 33% | 0.333 | S | S | . | . | trans | -88 | 164.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V62 | G60-V62 PolarHBondContact O-N 2.78Š| ||
| 61 | P | 97.8 | Very high | 97.1 | Very high | 73 Ų | 73 | 56.3 Ų | 56.3 | 47% | 0.474 | 35% | 0.348 | S | S | . | . | trans | -62.9 | 130.4 | 173.9 | -19.8 | 31.7 | 0 | 0 | 0 | 112.3 | Y53 L106 | Y53-P61 HydrophobicContact CD1-CB 4.07Å; Y53-P61 HydrophobicContact CG-CB 4.35Å; P61-L106 HydrophobicContact CB-CD1 4.47Å; P61-L106 HydrophobicContact CG-CD1 4.22Å | ||
| 62 | V | 98.1 | Very high | 97.1 | Very high | 84 Ų | 84 | 56 Ų | 56 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 127.5 | 175.2 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | Y53 R54 G60 L64 | Y53-V62 CarbonylContact C-O 3.56Å; Y53-V62 WeakPolarHBondContact CA-O 3.18Å; R54-V62 PolarHBondContact N-O 2.86Å; R54-V62 PolarHBondContact O-N 2.96Å; G60-V62 PolarHBondContact O-N 2.78Å; V62-L64 PolarHBondContact O-N 2.9Å |
| 63 | L | 98.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 59.4 Ų | 59.4 | 41% | 0.414 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.6 | 126.9 | 178 | -178.7 | 69 | 0 | 0 | 0 | 110.3 | Q51 Y53 | Q51-L63 HydrophobicContact CB-CD1 3.86Å; Q51-L63 HydrophobicContact CG-CD1 4.18Å; Y53-L63 HydrophobicContact CD1-CB 4.01Å; Y53-L63 HydrophobicContact CD1-CD1 4.27Å; Y53-L63 HydrophobicContact CD2-CD1 4.5Å; Y53-L63 HydrophobicContact CE1-CB 3.76Å; Y53-L63 HydrophobicContact CE1-CD1 3.82Å; Y53-L63 HydrophobicContact CE1-CG 4.39Å; Y53-L63 HydrophobicContact CE2-CD1 4.07Å |
| 64 | L | 98.5 | Very high | 97.1 | Very high | 45 Ų | 45 | 60.2 Ų | 60.2 | 24% | 0.236 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | -56.5 | 172.2 | -60.1 | -177.6 | 0 | 0 | 0 | 110.9 | W52 R54 V62 L76 L79 F81 Y105 | W52-L64 WeakPolarHBondContact O-CB 3.38Å; W52-L64 PolarHBondContact O-N 3.39Å; R54-L64 HydrophobicContact CB-CD1 3.91Å; R54-L64 HydrophobicContact CB-CD2 4Å; R54-L64 HydrophobicContact CB-CG 4.05Å; V62-L64 PolarHBondContact O-N 2.9Å; L64-L76 HydrophobicContact CD2-CD2 4.35Å; L64-L79 HydrophobicContact CD1-CD2 4.17Å; L64-F81 HydrophobicContact CB-CE1 4.4Å; L64-F81 HydrophobicContact CB-CZ 3.91Å; L64-F81 HydrophobicContact CD1-CE1 4.01Å; L64-F81 HydrophobicContact CD1-CZ 3.62Å; L64-F81 HydrophobicContact CG-CZ 4.45Å; L64-Y105 HydrophobicContact CD1-CD1 4.12Å; L64-Y105 HydrophobicContact CD1-CE1 3.91Å |
| 65 | V | 98.6 | Very high | 97.1 | Very high | 19 Ų | 19 | 65.3 Ų | 65.3 | 12% | 0.115 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 155.1 | -178.1 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | Q51 W52 K74 F81 | Q51-V65 WeakPolarHBondContact CA-O 3.37Å; W52-V65 HydrophobicContact CB-CG2 4.1Å; W52-V65 PolarHBondContact N-O 2.83Å; W52-V65 PolarHBondContact O-N 2.81Å; V65-K74 HydrophobicContact CB-CD 4.2Å; V65-K74 HydrophobicContact CG1-CB 4.27Å; V65-K74 HydrophobicContact CG1-CD 4.41Å; V65-F81 HydrophobicContact CB-CD2 4.38Å; V65-F81 HydrophobicContact CG1-CD2 3.88Å; V65-F81 HydrophobicContact CG1-CE2 3.92Å; V65-F81 HydrophobicContact CG2-CB 3.75Å; V65-F81 HydrophobicContact CG2-CD1 3.59Å; V65-F81 HydrophobicContact CG2-CD2 3.53Å; V65-F81 HydrophobicContact CG2-CE1 3.97Å; V65-F81 HydrophobicContact CG2-CE2 3.95Å; V65-F81 HydrophobicContact CG2-CG 3.33Å; V65-F81 HydrophobicContact CG2-CZ 4.15Å |
| 66 | T | 98.6 | Very high | 97.2 | Very high | 38 Ų | 38 | 66.5 Ų | 66.5 | 23% | 0.233 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 128 | 162.9 | -53.4 | 0 | 0 | 0 | 0 | 108.2 | L50 Q51 V68 K74 | L50-T66 CarbonylContact O-C 3.59Å; L50-T66 WeakPolarHBondContact O-CA 3.22Å; Q51-T66 HydrophobicContact CG-CG2 3.9Å; T66-V68 HydrophobicContact CG2-CG2 4.01Å; T66-K74 WeakPolarHBondContact O-CD 2.98Å; T66-K74 WeakPolarHBondContact O-CE 2.93Å; T66-K74 PolarHBondContact O-NZ 2.85Å |
| 67 | V | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 135.1 | 170.9 | -67.3 | 0 | 0 | 0 | 0 | 109.3 | S49 L50 K74 F81 F83 | S49-V67 CarbonylContact C-O 3.53Å; S49-V67 WeakPolarHBondContact CA-O 3.33Å; S49-V67 WeakPolarHBondContact CB-O 3.19Å; L50-V67 HydrophobicContact CB-CG2 4Å; L50-V67 PolarHBondContact N-O 3.02Å; L50-V67 WeakPolarHBondContact O-CG2 3.35Å; L50-V67 PolarHBondContact O-N 2.86Å; V67-K74 HydrophobicContact CG1-CB 4.5Å; V67-K74 HydrophobicContact CG1-CD 4.19Å; V67-K74 HydrophobicContact CG1-CG 4.17Å; V67-F81 HydrophobicContact CG1-CB 4.46Å; V67-F83 HydrophobicContact CB-CB 3.83Å; V67-F83 HydrophobicContact CB-CD1 4.26Å; V67-F83 HydrophobicContact CB-CG 4.24Å; V67-F83 HydrophobicContact CG2-CB 3.63Å; V67-F83 HydrophobicContact CG2-CD1 4.06Å; V67-F83 HydrophobicContact CG2-CD2 4.27Å; V67-F83 HydrophobicContact CG2-CG 3.76Å |
| 68 | V | 98.1 | Very high | 97.6 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | trans | -125.9 | -39.2 | -166.5 | -174.7 | 0 | 0 | 0 | 0 | 111.7 | S48 T66 E72 | S48-V68 VanDerWaalsContact O-O 3.05Å; T66-V68 HydrophobicContact CG2-CG2 4.01Å; V68-E72 PolarHBondContact N-OE2 2.82Å | ||
| 69 | T | 97.7 | Very high | 97.9 | Very high | 79 Ų | 79 | 66.5 Ų | 66.5 | 49% | 0.485 | 36% | 0.364 | S | S | . | . | S | Bend | trans | -93.6 | 138.3 | -177.7 | -52.7 | 0 | 0 | 0 | 0 | 110.3 | G71 E72 F83 | T69-G71 PolarHBondContact O-N 2.88Å; T69-E72 PolarHBondContact N-OE2 3.06Å; T69-E72 WeakPolarHBondContact O-CB 3.1Å; T69-E72 PolarHBondContact O-N 2.94Å; T69-F83 VanDerWaalsContact O-CD1 3.32Å; T69-F83 WeakPolarHBondContact O-CD1 3.32Å |
| 70 | G | 98.2 | Very high | 98.1 | Very high | 20 Ų | 20 | 62.3 Ų | 62.3 | 21% | 0.206 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 132.5 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | E72 G84 | G70-E72 VanDerWaalsContact C-N 3.27Å; G70-E72 PolarHBondContact O-N 3.1Å; G70-G84 WeakPolarHBondContact CA-O 3.3Å |
| 71 | G | 98.3 | Very high | 98.2 | Very high | 30 Ų | 30 | 60.2 Ų | 60.2 | 31% | 0.309 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.6 | 1.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | T69 V73 F83 D85 | T69-G71 PolarHBondContact O-N 2.88Å; G71-V73 PolarHBondContact O-N 2.76Å; G71-F83 WeakPolarHBondContact CA-O 3.37Å; G71-F83 PolarHBondContact N-O 2.03Å; G71-D85 VanDerWaalsContact CA-OD1 3.29Å; G71-D85 WeakPolarHBondContact CA-OD1 3.38Å; G71-D85 PolarHBondContact N-OD1 2.77Å |
| 72 | E | 98.6 | Very high | 98.3 | Very high | 49 Ų | 49 | 61 Ų | 61 | 23% | 0.229 | 32% | 0.322 | C | S | . | . | trans | -65.6 | 134.9 | 178.3 | -173.7 | 171.8 | -168.4 | 0 | 0 | 111.3 | V68 T69 G70 K74 Q82 F83 | V68-E72 PolarHBondContact N-OE2 2.82Å; T69-E72 PolarHBondContact N-OE2 3.06Å; T69-E72 WeakPolarHBondContact O-CB 3.1Å; T69-E72 PolarHBondContact O-N 2.94Å; G70-E72 VanDerWaalsContact C-N 3.27Å; G70-E72 PolarHBondContact O-N 3.1Å; E72-K74 HydrophobicContact CG-CG 4.4Å; E72-K74 WeakPolarHBondContact OE1-CE 3.49Å; E72-K74 IonicContact OE1-NZ 3.39Å; E72-K74 PolarHBondContact OE1-NZ 2.87Å; E72-Q82 CarbonylContact O-C 3.55Å; E72-Q82 WeakPolarHBondContact O-CA 3.41Å; E72-F83 PolarHBondContact O-N 2.68Å | ||
| 73 | V | 98.8 | Very high | 98.3 | Very high | 73 Ų | 73 | 57 Ų | 57 | 44% | 0.442 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 122.8 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | G71 T80 F81 Q82 | G71-V73 PolarHBondContact O-N 2.76Å; V73-T80 HydrophobicContact CG1-CG2 3.66Å; V73-F81 CarbonylContact C-O 3.42Å; V73-F81 WeakPolarHBondContact CA-O 3.41Å; V73-Q82 HydrophobicContact CG2-CB 4.35Å; V73-Q82 HydrophobicContact CG2-CG 4.05Å |
| 74 | K | 98.7 | Very high | 98.3 | Very high | 69 Ų | 69 | 53.5 Ų | 53.5 | 30% | 0.3 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 141.6 | 172.8 | -68.1 | -168.3 | -179.3 | -171.7 | 0 | 110.4 | V65 T66 V67 E72 F81 | V65-K74 HydrophobicContact CB-CD 4.2Å; V65-K74 HydrophobicContact CG1-CB 4.27Å; V65-K74 HydrophobicContact CG1-CD 4.41Å; T66-K74 WeakPolarHBondContact O-CD 2.98Å; T66-K74 WeakPolarHBondContact O-CE 2.93Å; T66-K74 PolarHBondContact O-NZ 2.85Å; V67-K74 HydrophobicContact CG1-CB 4.5Å; V67-K74 HydrophobicContact CG1-CD 4.19Å; V67-K74 HydrophobicContact CG1-CG 4.17Å; E72-K74 HydrophobicContact CG-CG 4.4Å; E72-K74 WeakPolarHBondContact OE1-CE 3.49Å; E72-K74 IonicContact OE1-NZ 3.39Å; E72-K74 PolarHBondContact OE1-NZ 2.87Å; K74-F81 PolarHBondContact N-O 3.3Å; K74-F81 PolarHBondContact O-N 2.93Å |
| 75 | K | 98.6 | Very high | 98.3 | Very high | 160 Ų | 160 | 57.8 Ų | 57.8 | 70% | 0.696 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 135 | 178.2 | -65.3 | -173.6 | 178.6 | -178 | 0 | 110.7 | L79 T80 | K75-L79 CarbonylContact C-O 3.52Å; K75-L79 WeakPolarHBondContact CA-O 3.38Å; K75-T80 HydrophobicContact CG-CG2 4.25Å |
| 76 | L | 97.8 | Very high | 98.3 | Very high | 76 Ų | 76 | 59.8 Ų | 59.8 | 40% | 0.398 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 99.3 | 169.6 | -177 | 67.2 | 0 | 0 | 0 | 108.3 | L64 R78 L79 F81 | L64-L76 HydrophobicContact CD2-CD2 4.35Å; L76-R78 PolarHBondContact O-N 2.81Å; L76-R78 VanDerWaalsContact O-N 3.12Å; L76-L79 PolarHBondContact N-O 2.79Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 2.84Å; L76-F81 HydrophobicContact CB-CE2 4.13Å |
| 77 | K | 96.3 | Very high | 98.2 | Very high | 203 Ų | 203 | 62.5 Ų | 62.5 | 88% | 0.883 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | -115.8 | -174.2 | -55.5 | 176.5 | 178.7 | 176.9 | 0 | 110.9 | L79 | K77-L79 VanDerWaalsContact C-N 3.34Š|
| 78 | R | 97.7 | Very high | 98.1 | Very high | 50 Ų | 50 | 66.4 Ų | 66.4 | 19% | 0.189 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.6 | 179.4 | -64.4 | -179.9 | -66.9 | 97.5 | 6.4 | 113.5 | L76 T95 A96 D101 | L76-R78 PolarHBondContact O-N 2.81Å; L76-R78 VanDerWaalsContact O-N 3.12Å; R78-T95 WeakPolarHBondContact CB-O 3.36Å; R78-T95 WeakPolarHBondContact CD-O 3.18Å; R78-T95 PolarHBondContact NH1-O 3.5Å; R78-T95 PolarHBondContact O-N 2.66Å; R78-T95 VanDerWaalsContact O-N 3.1Å; R78-T95 PolarHBondContact O-OG1 2.95Å; R78-A96 PolarHBondContact NH1-O 3.32Å; R78-D101 IonicContact CZ-OD1 3.84Å; R78-D101 IonicContact CZ-OD2 3.22Å; R78-D101 VanDerWaalsContact CZ-OD2 3.22Å; R78-D101 IonicContact NH1-OD1 3.92Å; R78-D101 IonicContact NH1-OD2 2.7Å; R78-D101 PolarHBondContact NH1-OD2 2.88Å; R78-D101 VanDerWaalsContact NH2-CG 3.26Å; R78-D101 IonicContact NH2-OD1 2.9Å; R78-D101 PolarHBondContact NH2-OD1 3.31Å; R78-D101 IonicContact NH2-OD2 2.83Å; R78-D101 PolarHBondContact NH2-OD2 3.28Å |
| 79 | L | 98.5 | Very high | 98.1 | Very high | 15 Ų | 15 | 66 Ų | 66 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 129.3 | -178.9 | -69.1 | 64.5 | 0 | 0 | 0 | 109.2 | L64 K75 L76 K77 F81 L92 H93 I94 Y105 | L64-L79 HydrophobicContact CD1-CD2 4.17Å; K75-L79 CarbonylContact C-O 3.52Å; K75-L79 WeakPolarHBondContact CA-O 3.38Å; L76-L79 PolarHBondContact N-O 2.79Å; L76-L79 WeakPolarHBondContact O-CB 3.45Å; L76-L79 PolarHBondContact O-N 2.84Å; K77-L79 VanDerWaalsContact C-N 3.34Å; L79-F81 HydrophobicContact CB-CE2 3.79Å; L79-F81 HydrophobicContact CB-CZ 4.01Å; L79-F81 HydrophobicContact CD2-CE2 4.43Å; L79-F81 HydrophobicContact CD2-CZ 3.92Å; L79-L92 HydrophobicContact CB-CD1 3.88Å; L79-L92 HydrophobicContact CD2-CD1 4.15Å; L79-L92 HydrophobicContact CG-CD1 4.02Å; L79-H93 CarbonylContact C-O 3.6Å; L79-H93 WeakPolarHBondContact CA-O 3.07Å; L79-I94 HydrophobicContact CD1-CG2 4.36Å; L79-I94 HydrophobicContact CG-CG1 4.25Å; L79-Y105 HydrophobicContact CD2-CE1 4.1Å |
| 80 | T | 98.8 | Very high | 98.2 | Very high | 32 Ų | 32 | 62.2 Ų | 62.2 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 121.6 | 174 | -58.8 | 0 | 0 | 0 | 0 | 108.9 | V73 K75 L92 H93 | V73-T80 HydrophobicContact CG1-CG2 3.66Å; K75-T80 HydrophobicContact CG-CG2 4.25Å; T80-L92 CarbonylContact O-C 3.55Å; T80-L92 WeakPolarHBondContact O-CA 3.28Å; T80-H93 PolarHBondContact N-O 3.12Å; T80-H93 PolarHBondContact O-N 2.93Å |
| 81 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 129.9 | 177.3 | -53.3 | -93.8 | 0 | 0 | 0 | 108.5 | W52 L64 V65 V67 V73 K74 L76 L79 S91 L92 | W52-F81 HydrophobicContact CB-CD1 3.68Å; W52-F81 HydrophobicContact CB-CE1 3.5Å; W52-F81 AromaticContact CD1-CD1 3.52Å; W52-F81 HydrophobicContact CD2-CD1 4.01Å; W52-F81 HydrophobicContact CD2-CE1 4.26Å; W52-F81 AromaticContact CG-CD1 3.43Å; W52-F81 HydrophobicContact CG-CD1 3.43Å; W52-F81 VanDerWaalsContact CG-CD1 3.43Å; W52-F81 AromaticContact CG-CE1 3.72Å; W52-F81 HydrophobicContact CG-CE1 3.72Å; L64-F81 HydrophobicContact CB-CE1 4.4Å; L64-F81 HydrophobicContact CB-CZ 3.91Å; L64-F81 HydrophobicContact CD1-CE1 4.01Å; L64-F81 HydrophobicContact CD1-CZ 3.62Å; L64-F81 HydrophobicContact CG-CZ 4.45Å; V65-F81 HydrophobicContact CB-CD2 4.38Å; V65-F81 HydrophobicContact CG1-CD2 3.88Å; V65-F81 HydrophobicContact CG1-CE2 3.92Å; V65-F81 HydrophobicContact CG2-CB 3.75Å; V65-F81 HydrophobicContact CG2-CD1 3.59Å; V65-F81 HydrophobicContact CG2-CD2 3.53Å; V65-F81 HydrophobicContact CG2-CE1 3.97Å; V65-F81 HydrophobicContact CG2-CE2 3.95Å; V65-F81 HydrophobicContact CG2-CG 3.33Å; V65-F81 HydrophobicContact CG2-CZ 4.15Å; V67-F81 HydrophobicContact CG1-CB 4.46Å; V73-F81 CarbonylContact C-O 3.42Å; V73-F81 WeakPolarHBondContact CA-O 3.41Å; K74-F81 PolarHBondContact N-O 3.3Å; K74-F81 PolarHBondContact O-N 2.93Å; L76-F81 HydrophobicContact CB-CE2 4.13Å; L79-F81 HydrophobicContact CB-CE2 3.79Å; L79-F81 HydrophobicContact CB-CZ 4.01Å; L79-F81 HydrophobicContact CD2-CE2 4.43Å; L79-F81 HydrophobicContact CD2-CZ 3.92Å; F81-S91 CarbonylContact C-O 3.58Å; F81-S91 VanDerWaalsContact CA-O 3.3Å; F81-S91 WeakPolarHBondContact CA-O 3.27Å; F81-L92 HydrophobicContact CD1-CB 4.14Å; F81-L92 HydrophobicContact CD1-CD1 3.89Å; F81-L92 HydrophobicContact CD1-CG 4.5Å; F81-L92 HydrophobicContact CE1-CB 4.27Å; F81-L92 HydrophobicContact CE1-CD1 3.53Å; F81-L92 HydrophobicContact CE1-CD2 4.22Å; F81-L92 HydrophobicContact CE1-CG 4.2Å; F81-L92 HydrophobicContact CE2-CD1 4.44Å; F81-L92 HydrophobicContact CZ-CD1 3.82Å |
| 82 | Q | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 60.7 Ų | 60.7 | 41% | 0.411 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 136.2 | -179.5 | 179.6 | 169 | -0.4 | 0 | 0 | 109.9 | E72 V73 S90 S91 | E72-Q82 CarbonylContact O-C 3.55Å; E72-Q82 WeakPolarHBondContact O-CA 3.41Å; V73-Q82 HydrophobicContact CG2-CB 4.35Å; V73-Q82 HydrophobicContact CG2-CG 4.05Å; Q82-S90 CarbonylContact O-C 3.56Å; Q82-S90 WeakPolarHBondContact O-CA 3.29Å; Q82-S90 VanDerWaalsContact O-CB 3.29Å; Q82-S90 WeakPolarHBondContact O-CB 3.09Å; Q82-S90 PolarHBondContact O-OG 3.29Å; Q82-S91 PolarHBondContact N-O 2.97Å; Q82-S91 PolarHBondContact O-N 2.91Å |
| 83 | F | 98.7 | Very high | 98.2 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 126.1 | 169.7 | -160.3 | -169 | 0 | 0 | 0 | 109 | F47 L50 V67 T69 G71 E72 R87 D89 | F47-F83 HydrophobicContact CB-CZ 4.37Å; L50-F83 HydrophobicContact CB-CE2 4.32Å; L50-F83 HydrophobicContact CD1-CD2 3.95Å; L50-F83 HydrophobicContact CD1-CE2 3.51Å; L50-F83 HydrophobicContact CD1-CZ 4.4Å; L50-F83 HydrophobicContact CG-CD2 4.37Å; L50-F83 HydrophobicContact CG-CE2 3.71Å; L50-F83 HydrophobicContact CG-CZ 4.13Å; V67-F83 HydrophobicContact CB-CB 3.83Å; V67-F83 HydrophobicContact CB-CD1 4.26Å; V67-F83 HydrophobicContact CB-CG 4.24Å; V67-F83 HydrophobicContact CG2-CB 3.63Å; V67-F83 HydrophobicContact CG2-CD1 4.06Å; V67-F83 HydrophobicContact CG2-CD2 4.27Å; V67-F83 HydrophobicContact CG2-CG 3.76Å; T69-F83 VanDerWaalsContact O-CD1 3.32Å; T69-F83 WeakPolarHBondContact O-CD1 3.32Å; G71-F83 WeakPolarHBondContact CA-O 3.37Å; G71-F83 PolarHBondContact N-O 2.03Å; E72-F83 PolarHBondContact O-N 2.68Å; F83-R87 HydrophobicContact CD1-CG 4.29Å; F83-R87 HydrophobicContact CE1-CB 3.92Å; F83-R87 HydrophobicContact CE1-CG 3.74Å; F83-R87 VanDerWaalsContact CE2-CA 3.45Å; F83-R87 HydrophobicContact CE2-CB 3.81Å; F83-R87 HydrophobicContact CE2-CG 4.38Å; F83-R87 HydrophobicContact CZ-CB 3.41Å; F83-R87 VanDerWaalsContact CZ-CB 3.41Å; F83-R87 HydrophobicContact CZ-CG 3.79Å; F83-D89 VanDerWaalsContact CD2-O 3.27Å; F83-D89 WeakPolarHBondContact CD2-O 3.09Å |
| 84 | G | 98.4 | Very high | 98.2 | Very high | 6 Ų | 6 | 57.7 Ų | 57.7 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | trans | -59.7 | 150.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G70 A86 R87 D89 | G70-G84 WeakPolarHBondContact CA-O 3.3Å; G84-A86 VanDerWaalsContact C-N 3.25Å; G84-A86 PolarHBondContact O-N 2.85Å; G84-R87 WeakPolarHBondContact O-CA 3.35Å; G84-R87 PolarHBondContact O-N 2.75Å; G84-D89 PolarHBondContact N-O 2.97Å | ||
| 85 | D | 98.2 | Very high | 98.2 | Very high | 135 Ų | 135 | 56.7 Ų | 56.7 | 72% | 0.722 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -38.3 | -176.8 | -63.7 | -54.6 | 0 | 0 | 0 | 112.3 | G71 R87 | G71-D85 VanDerWaalsContact CA-OD1 3.29Å; G71-D85 WeakPolarHBondContact CA-OD1 3.38Å; G71-D85 PolarHBondContact N-OD1 2.77Å; D85-R87 PolarHBondContact O-N 2.92Å |
| 86 | A | 97.6 | Very high | 98.2 | Very high | 62 Ų | 62 | 51.2 Ų | 51.2 | 51% | 0.512 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | G84 K88 | G84-A86 VanDerWaalsContact C-N 3.25Å; G84-A86 PolarHBondContact O-N 2.85Å; A86-K88 HydrophobicContact CB-CG 4.32Å; A86-K88 PolarHBondContact O-N 3.41Å |
| 87 | R | 97.5 | Very high | 98.2 | Very high | 95 Ų | 95 | 47.9 Ų | 47.9 | 36% | 0.358 | 25% | 0.248 | S | C | . | . | S | Bend | trans | 55.6 | 31.7 | -176.8 | -55.6 | -178.9 | -168.7 | -168.7 | -1.6 | 113.6 | V46 F47 F83 G84 D85 | V46-R87 WeakPolarHBondContact CA-O 3.3Å; V46-R87 HydrophobicContact CG1-CB 3.97Å; F47-R87 PolarHBondContact N-O 2.92Å; F47-R87 WeakPolarHBondContact O-CB 3.21Å; F83-R87 HydrophobicContact CD1-CG 4.29Å; F83-R87 HydrophobicContact CE1-CB 3.92Å; F83-R87 HydrophobicContact CE1-CG 3.74Å; F83-R87 VanDerWaalsContact CE2-CA 3.45Å; F83-R87 HydrophobicContact CE2-CB 3.81Å; F83-R87 HydrophobicContact CE2-CG 4.38Å; F83-R87 HydrophobicContact CZ-CB 3.41Å; F83-R87 VanDerWaalsContact CZ-CB 3.41Å; F83-R87 HydrophobicContact CZ-CG 3.79Å; G84-R87 WeakPolarHBondContact O-CA 3.35Å; G84-R87 PolarHBondContact O-N 2.75Å; D85-R87 PolarHBondContact O-N 2.92Å |
| 88 | K | 96.8 | Very high | 98.2 | Very high | 82 Ų | 82 | 43 Ų | 43 | 36% | 0.357 | 23% | 0.228 | S | C | . | . | S | Bend | trans | -110.7 | -2.2 | 177.3 | -64.5 | -165.1 | 70.9 | 178.4 | 0 | 112.6 | S43 S44 V46 A86 | S43-K88 WeakPolarHBondContact CA-O 3.31Å; S43-K88 WeakPolarHBondContact CB-O 3.29Å; S43-K88 PolarHBondContact N-O 2.83Å; S43-K88 VanDerWaalsContact O-CE 3.3Å; S43-K88 WeakPolarHBondContact O-CE 3.32Å; S44-K88 WeakPolarHBondContact O-CE 3.41Å; S44-K88 PolarHBondContact O-NZ 2.79Å; V46-K88 HydrophobicContact CG2-CD 4.23Å; V46-K88 HydrophobicContact CG2-CG 3.86Å; A86-K88 HydrophobicContact CB-CG 4.32Å; A86-K88 PolarHBondContact O-N 3.41Å |
| 89 | D | 97.8 | Very high | 98.1 | Very high | 62 Ų | 62 | 45.5 Ų | 45.5 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 152.8 | -175 | 62 | -74.3 | 0 | 0 | 0 | 109.7 | C41 F83 G84 | C41-D89 CarbonylContact O-C 3.54Å; C41-D89 WeakPolarHBondContact O-CA 3.32Å; F83-D89 VanDerWaalsContact CD2-O 3.27Å; F83-D89 WeakPolarHBondContact CD2-O 3.09Å; G84-D89 PolarHBondContact N-O 2.97Å |
| 90 | S | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.6 | 154 | 170.8 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | C41 W52 Q82 | C41-S90 PolarHBondContact N-O 3.43Å; C41-S90 PolarHBondContact O-N 3.24Å; W52-S90 PolarHBondContact NE1-OG 2.9Å; Q82-S90 CarbonylContact O-C 3.56Å; Q82-S90 WeakPolarHBondContact O-CA 3.29Å; Q82-S90 VanDerWaalsContact O-CB 3.29Å; Q82-S90 WeakPolarHBondContact O-CB 3.09Å; Q82-S90 PolarHBondContact O-OG 3.29Å |
| 91 | S | 98.7 | Very high | 97.7 | Very high | 18 Ų | 18 | 46.5 Ų | 46.5 | 13% | 0.126 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 141.5 | 174.8 | 64.4 | 0 | 0 | 0 | 0 | 111.7 | V39 F81 Q82 | V39-S91 CarbonylContact O-C 3.54Å; V39-S91 VanDerWaalsContact O-CA 3.24Å; V39-S91 WeakPolarHBondContact O-CA 3.19Å; F81-S91 CarbonylContact C-O 3.58Å; F81-S91 VanDerWaalsContact CA-O 3.3Å; F81-S91 WeakPolarHBondContact CA-O 3.27Å; Q82-S91 PolarHBondContact N-O 2.97Å; Q82-S91 PolarHBondContact O-N 2.91Å |
| 92 | L | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 116.8 | 163.4 | 162.7 | 59.6 | 0 | 0 | 0 | 108.5 | T38 V39 W52 L79 T80 F81 I94 Y105 | T38-L92 CarbonylContact C-O 3.57Å; T38-L92 VanDerWaalsContact CA-O 3.31Å; T38-L92 WeakPolarHBondContact CA-O 3.35Å; V39-L92 HydrophobicContact CB-CB 4.5Å; V39-L92 PolarHBondContact N-O 2.84Å; V39-L92 PolarHBondContact O-N 2.8Å; W52-L92 HydrophobicContact CD2-CB 4.22Å; W52-L92 HydrophobicContact CE3-CB 4.03Å; W52-L92 HydrophobicContact CE3-CD2 4.31Å; W52-L92 HydrophobicContact CH2-CB 3.89Å; W52-L92 HydrophobicContact CZ2-CB 4.1Å; W52-L92 HydrophobicContact CZ3-CB 3.86Å; W52-L92 HydrophobicContact CZ3-CD2 4.4Å; L79-L92 HydrophobicContact CB-CD1 3.88Å; L79-L92 HydrophobicContact CD2-CD1 4.15Å; L79-L92 HydrophobicContact CG-CD1 4.02Å; T80-L92 CarbonylContact O-C 3.55Å; T80-L92 WeakPolarHBondContact O-CA 3.28Å; F81-L92 HydrophobicContact CD1-CB 4.14Å; F81-L92 HydrophobicContact CD1-CD1 3.89Å; F81-L92 HydrophobicContact CD1-CG 4.5Å; F81-L92 HydrophobicContact CE1-CB 4.27Å; F81-L92 HydrophobicContact CE1-CD1 3.53Å; F81-L92 HydrophobicContact CE1-CD2 4.22Å; F81-L92 HydrophobicContact CE1-CG 4.2Å; F81-L92 HydrophobicContact CE2-CD1 4.44Å; F81-L92 HydrophobicContact CZ-CD1 3.82Å; L92-I94 HydrophobicContact CD1-CG1 3.97Å; L92-I94 HydrophobicContact CD2-CD1 4.31Å; L92-I94 HydrophobicContact CD2-CG1 4.43Å; L92-I94 HydrophobicContact CG-CD1 4.48Å; L92-I94 HydrophobicContact CG-CG1 4.07Å; L92-Y105 HydrophobicContact CD2-CD1 3.23Å; L92-Y105 HydrophobicContact CD2-CE1 3.66Å; L92-Y105 HydrophobicContact CD2-CG 3.7Å |
| 93 | H | 98.7 | Very high | 97.4 | Very high | 56 Ų | 56 | 48.6 Ų | 48.6 | 26% | 0.259 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 128.3 | 171.1 | -174.1 | 65.6 | 0 | 0 | 0 | 110.4 | L37 T38 L79 T80 T95 | L37-H93 CarbonylContact O-C 3.45Å; L37-H93 WeakPolarHBondContact O-CA 3.39Å; L37-H93 PolarHBondContact O-ND1 2.65Å; T38-H93 PolarHBondContact OG1-ND1 2.69Å; L79-H93 CarbonylContact C-O 3.6Å; L79-H93 WeakPolarHBondContact CA-O 3.07Å; T80-H93 PolarHBondContact N-O 3.12Å; T80-H93 PolarHBondContact O-N 2.93Å; H93-T95 WeakPolarHBondContact NE2-CG2 3.21Å |
| 94 | I | 98.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 52.7 Ų | 52.7 | 1% | 0.01 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 123.5 | 175.9 | -47.1 | -174.4 | 0 | 0 | 0 | 107.9 | N36 L37 L79 L92 Y105 | N36-I94 VanDerWaalsContact CA-O 3.32Å; N36-I94 WeakPolarHBondContact CA-O 3.38Å; L37-I94 HydrophobicContact CD1-CD1 4.19Å; L37-I94 HydrophobicContact CD1-CG1 4.19Å; L37-I94 HydrophobicContact CD2-CB 4.34Å; L37-I94 HydrophobicContact CD2-CD1 4.24Å; L37-I94 HydrophobicContact CG-CB 4.06Å; L37-I94 HydrophobicContact CG-CD1 4.38Å; L37-I94 HydrophobicContact CG-CG1 4.24Å; L37-I94 PolarHBondContact N-O 2.93Å; L37-I94 PolarHBondContact O-N 2.68Å; L79-I94 HydrophobicContact CD1-CG2 4.36Å; L79-I94 HydrophobicContact CG-CG1 4.25Å; L92-I94 HydrophobicContact CD1-CG1 3.97Å; L92-I94 HydrophobicContact CD2-CD1 4.31Å; L92-I94 HydrophobicContact CD2-CG1 4.43Å; L92-I94 HydrophobicContact CG-CD1 4.48Å; L92-I94 HydrophobicContact CG-CG1 4.07Å; I94-Y105 HydrophobicContact CD1-CE1 4.5Å; I94-Y105 HydrophobicContact CD1-CE2 4.2Å |
| 95 | T | 98.4 | Very high | 97.2 | Very high | 49 Ų | 49 | 53.4 Ų | 53.4 | 30% | 0.301 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -98.2 | 145.9 | 174.9 | 57.3 | 0 | 0 | 0 | 0 | 111.9 | N36 R78 H93 A97 | N36-T95 VanDerWaalsContact OD1-CA 3.25Å; N36-T95 WeakPolarHBondContact OD1-CA 3.35Å; R78-T95 WeakPolarHBondContact CB-O 3.36Å; R78-T95 WeakPolarHBondContact CD-O 3.18Å; R78-T95 PolarHBondContact NH1-O 3.5Å; R78-T95 PolarHBondContact O-N 2.66Å; R78-T95 VanDerWaalsContact O-N 3.1Å; R78-T95 PolarHBondContact O-OG1 2.95Å; H93-T95 WeakPolarHBondContact NE2-CG2 3.21Å; T95-A97 PolarHBondContact O-N 2.63Å |
| 96 | A | 98 | Very high | 97.2 | Very high | 44 Ų | 44 | 49.6 Ų | 49.6 | 36% | 0.364 | 29% | 0.293 | S | S | . | . | S | Bend | trans | 45 | 62 | 178 | 0 | 0 | 0 | 0 | 0 | 111.6 | N36 R78 | N36-A96 PolarHBondContact OD1-N 3.3Å; R78-A96 PolarHBondContact NH1-O 3.32Å |
| 97 | A | 97.9 | Very high | 97.2 | Very high | 7 Ų | 7 | 47.3 Ų | 47.3 | 6% | 0.058 | 27% | 0.273 | C | S | . | . | trans | -50.7 | 139.8 | -173.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I31 E33 G34 E35 T95 | I31-A97 HydrophobicContact CD1-CB 3.29Å; I31-A97 HydrophobicContact CG1-CB 4.43Å; E33-A97 CarbonylContact C-O 3.53Å; E33-A97 WeakPolarHBondContact CA-O 3.3Å; E33-A97 WeakPolarHBondContact CG-O 3.43Å; G34-A97 PolarHBondContact N-O 3.09Å; E35-A97 VanDerWaalsContact O-CB 3.3Å; E35-A97 WeakPolarHBondContact O-CB 3.46Å; E35-A97 PolarHBondContact O-N 2.8Å; T95-A97 PolarHBondContact O-N 2.63Å | ||
| 98 | Q | 97.4 | Very high | 97.1 | Very high | 99 Ų | 99 | 44.6 Ų | 44.6 | 46% | 0.463 | 27% | 0.271 | S | S | . | . | trans | -117.8 | 157.3 | 179.2 | -67.3 | 174.6 | -9.8 | 0 | 0 | 109.4 | G100 D101 | Q98-G100 PolarHBondContact O-N 2.81Å; Q98-G100 VanDerWaalsContact O-N 3.09Å; Q98-D101 PolarHBondContact N-OD2 2.79Å; Q98-D101 WeakPolarHBondContact O-CB 3.49Å; Q98-D101 PolarHBondContact O-N 3.23Å | ||
| 99 | T | 94.9 | Very high | 96.8 | Very high | 103 Ų | 103 | 43.7 Ų | 43.7 | 63% | 0.632 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -51.9 | -36.7 | 174.6 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | D101 T102 | T99-D101 PolarHBondContact O-N 2.87Å; T99-T102 VanDerWaalsContact O-CB 3.32Å; T99-T102 WeakPolarHBondContact O-CB 3.44Å; T99-T102 PolarHBondContact O-N 2.88Å; T99-T102 VanDerWaalsContact O-N 3.14Å; T99-T102 PolarHBondContact O-OG1 2.96Å |
| 100 | G | 94.3 | Very high | 96.8 | Very high | 49 Ų | 49 | 42.8 Ų | 42.8 | 51% | 0.505 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -73 | 3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | R54 Q98 | R54-G100 PolarHBondContact NH1-O 2.69Å; R54-G100 PolarHBondContact NH2-O 3.34Å; Q98-G100 PolarHBondContact O-N 2.81Å; Q98-G100 VanDerWaalsContact O-N 3.09Å |
| 101 | D | 95.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 45.1 Ų | 45.1 | 10% | 0.102 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -94.7 | -4.8 | 168.3 | -57.9 | -36.9 | 0 | 0 | 0 | 112 | R78 Q98 T99 G103 Y105 | R78-D101 IonicContact CZ-OD1 3.84Å; R78-D101 IonicContact CZ-OD2 3.22Å; R78-D101 VanDerWaalsContact CZ-OD2 3.22Å; R78-D101 IonicContact NH1-OD1 3.92Å; R78-D101 IonicContact NH1-OD2 2.7Å; R78-D101 PolarHBondContact NH1-OD2 2.88Å; R78-D101 VanDerWaalsContact NH2-CG 3.26Å; R78-D101 IonicContact NH2-OD1 2.9Å; R78-D101 PolarHBondContact NH2-OD1 3.31Å; R78-D101 IonicContact NH2-OD2 2.83Å; R78-D101 PolarHBondContact NH2-OD2 3.28Å; Q98-D101 PolarHBondContact N-OD2 2.79Å; Q98-D101 WeakPolarHBondContact O-CB 3.49Å; Q98-D101 PolarHBondContact O-N 3.23Å; T99-D101 PolarHBondContact O-N 2.87Å; D101-G103 PolarHBondContact O-N 2.88Å; D101-Y105 WeakPolarHBondContact O-CE2 3.19Å; D101-Y105 PolarHBondContact O-OH 2.92Å |
| 102 | T | 94.8 | Very high | 96.6 | Very high | 99 Ų | 99 | 46.6 Ų | 46.6 | 61% | 0.607 | 31% | 0.307 | S | S | * | . | trans | -62.2 | 124 | 174.9 | -54.4 | 0 | 0 | 0 | 0 | 109.4 | R54 T99 | R54-T102 PolarHBondContact NH2-O 3.38Å; T99-T102 VanDerWaalsContact O-CB 3.32Å; T99-T102 WeakPolarHBondContact O-CB 3.44Å; T99-T102 PolarHBondContact O-N 2.88Å; T99-T102 VanDerWaalsContact O-N 3.14Å; T99-T102 PolarHBondContact O-OG1 2.96Å | ||
| 103 | G | 95.1 | Very high | 96.4 | Very high | 33 Ų | 33 | 49.3 Ų | 49.3 | 34% | 0.34 | 33% | 0.325 | S | S | . | . | S | Bend | trans | 168.1 | 176.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | D101 | D101-G103 PolarHBondContact O-N 2.88Š|
| 104 | L | 96.9 | Very high | 96.3 | Very high | 86 Ų | 86 | 48.9 Ų | 48.9 | 45% | 0.45 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 127 | 174.3 | 176 | 62.2 | 0 | 0 | 0 | 109.4 | R54 Q55 L106 | R54-L104 CarbonylContact C-O 3.53Å; R54-L104 WeakPolarHBondContact CA-O 3.41Å; Q55-L104 HydrophobicContact CB-CB 4.29Å; Q55-L104 PolarHBondContact N-O 3.48Å; Q55-L104 PolarHBondContact O-N 2.83Å; L104-L106 HydrophobicContact CD1-CD2 4.04Å; L104-L106 HydrophobicContact CD2-CD1 4.19Å; L104-L106 HydrophobicContact CD2-CD2 4.03Å; L104-L106 HydrophobicContact CD2-CG 4.18Å; L104-L106 HydrophobicContact CG-CD1 4.46Å; L104-L106 HydrophobicContact CG-CD2 3.96Å; L104-L106 HydrophobicContact CG-CG 3.98Å |
| 105 | Y | 97.7 | Very high | 96.1 | Very high | 21 Ų | 21 | 52 Ų | 52 | 8% | 0.082 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 125 | 174 | -69.7 | -93.6 | 0 | 0 | 0 | 110 | Q24 Y53 R54 L64 L79 L92 I94 D101 | Q24-Y105 PolarHBondContact NE2-O 3.26Å; Y53-Y105 WeakPolarHBondContact O-CA 3.47Å; R54-Y105 HydrophobicContact CB-CD1 4.22Å; R54-Y105 HydrophobicContact CB-CE1 4.09Å; R54-Y105 HydrophobicContact CG-CE1 4.18Å; L64-Y105 HydrophobicContact CD1-CD1 4.12Å; L64-Y105 HydrophobicContact CD1-CE1 3.91Å; L79-Y105 HydrophobicContact CD2-CE1 4.1Å; L92-Y105 HydrophobicContact CD2-CD1 3.23Å; L92-Y105 HydrophobicContact CD2-CE1 3.66Å; L92-Y105 HydrophobicContact CD2-CG 3.7Å; I94-Y105 HydrophobicContact CD1-CE1 4.5Å; I94-Y105 HydrophobicContact CD1-CE2 4.2Å; D101-Y105 WeakPolarHBondContact O-CE2 3.19Å; D101-Y105 PolarHBondContact O-OH 2.92Å |
| 106 | L | 97.3 | Very high | 96 | Very high | 55 Ų | 55 | 52.2 Ų | 52.2 | 29% | 0.288 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.1 | -176.4 | -60.5 | 169.2 | 0 | 0 | 0 | 110.3 | W52 Y53 P61 L104 | W52-L106 CarbonylContact C-O 3.6Å; W52-L106 WeakPolarHBondContact CA-O 3.32Å; Y53-L106 PolarHBondContact N-O 2.71Å; Y53-L106 PolarHBondContact O-N 2.94Å; P61-L106 HydrophobicContact CB-CD1 4.47Å; P61-L106 HydrophobicContact CG-CD1 4.22Å; L104-L106 HydrophobicContact CD1-CD2 4.04Å; L104-L106 HydrophobicContact CD2-CD1 4.19Å; L104-L106 HydrophobicContact CD2-CD2 4.03Å; L104-L106 HydrophobicContact CD2-CG 4.18Å; L104-L106 HydrophobicContact CG-CD1 4.46Å; L104-L106 HydrophobicContact CG-CD2 3.96Å; L104-L106 HydrophobicContact CG-CG 3.98Å |
| 107 | C | 97.6 | Very high | 95.8 | Very high | 14 Ų | 14 | 52.8 Ų | 52.8 | 10% | 0.095 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.5 | 173.3 | 175.5 | 0 | 0 | 0 | 0 | 109.1 | Q24 C41 Q51 W52 | Q24-C107 HydrophobicContact CG-CB 4.21Å; C41-C107 HydrophobicContact CB-CB 3.46Å; C41-C107 VanDerWaalsContact CB-CB 3.46Å; C41-C107 WeakPolarHBondContact CB-SG 3.33Å; C41-C107 WeakPolarHBondContact SG-CB 3.4Å; C41-C107 CovalentContact SG-SG 2.03Å; C41-C107 PolarHBondContact SG-SG 3.39Å; Q51-C107 CarbonylContact O-C 3.44Å; Q51-C107 WeakPolarHBondContact O-CA 3.01Å; W52-C107 HydrophobicContact CD2-CB 4.23Å; W52-C107 HydrophobicContact CE3-CB 4.07Å; W52-C107 HydrophobicContact CH2-CB 4Å; W52-C107 HydrophobicContact CZ2-CB 4.13Å; W52-C107 HydrophobicContact CZ3-CB 3.95Å |
| 108 | A | 96.1 | Very high | 95.6 | Very high | 39 Ų | 39 | 56.7 Ų | 56.7 | 32% | 0.322 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 155.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | L50 Q51 Y53 | L50-A108 CarbonylContact C-O 3.6Å; L50-A108 WeakPolarHBondContact CA-O 2.76Å; L50-A108 WeakPolarHBondContact CD2-O 3.29Å; Q51-A108 PolarHBondContact N-O 3.47Å; Q51-A108 PolarHBondContact O-N 3.48Å; Y53-A108 HydrophobicContact CE2-CB 4.18Å |
| 109 | G | 90.1 | Very high | 95.5 | Very high | 63 Ų | 63 | 52.8 Ų | 52.8 | 65% | 0.649 | 37% | 0.37 | S | S | * | . | trans | -134.8 | 0 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | F47 | F47-G109 VanDerWaalsContact CD1-C 3.49Å; F47-G109 VanDerWaalsContact CD1-CA 3.49Å; F47-G109 VanDerWaalsContact CD1-OXT 3.28Å; F47-G109 WeakPolarHBondContact CD1-OXT 3.48Å; F47-G109 WeakPolarHBondContact CE1-OXT 3.24Å |
Retrieved 109 of 109 residues in 56.5 ms
(Link to these results)